CID 764192

4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl acetate

Structural Information

Molecular Formula
C14H12O4
SMILES
CC(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2
InChI
InChI=1S/C14H12O4/c1-8(15)17-9-5-6-11-10-3-2-4-12(10)14(16)18-13(11)7-9/h5-7H,2-4H2,1H3
InChIKey
IMGBRUFRLUUMEW-UHFFFAOYSA-N
Compound name
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.07356 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.080836 149.4
[M+Na]+ 267.062778 159.3
[M-H]- 243.066284 156.2
[M+NH4]+ 262.107383 169.8
[M+K]+ 283.036718 157.5
[M+H-H2O]+ 227.070820 144.0
[M+HCOO]- 289.071761 170.6
[M+CH3COO]- 303.087411 192.2
[M+Na-2H]- 265.048226 155.3
[M]+ 244.07301142 153.4
[M]- 244.07410858 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.